(15-methoxy-15-oxopentadecyl)-triphenylphosphanium

C34H46O2P+ — CID 10508386

IUPAC(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
SMILESCOC(=O)CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46O2P/c1-36-34(35)29-21-10-8-6-4-2-3-5-7-9-11-22-30-37(31-23-15-12-16-24-31,32-25-17-13-18-26-32)33-27-19-14-20-28-33/h12-20,23-28H,2-11,21-22,29-30H2,1H3/q+1
InChIKeyGERPZURPLOAZAB-UHFFFAOYSA-N
MW517.71 g/mol
LogP8.22
Rot. Bonds18

About (15-methoxy-15-oxopentadecyl)-triphenylphosphanium

(15-methoxy-15-oxopentadecyl)-triphenylphosphanium (PubChem CID 10508386) has the molecular formula C34H46O2P+ and a molecular weight of 517.71 g/mol. Its IUPAC name is (15-methoxy-15-oxopentadecyl)-triphenylphosphanium.

Molecular Properties

Compound Name(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
PubChem CID10508386
Molecular FormulaC34H46O2P+
Molecular Weight517.71 g/mol
Exact Mass517.32
IUPAC Name(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
SMILESCOC(=O)CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H46O2P/c1-36-34(35)29-21-10-8-6-4-2-3-5-7-9-11-22-30-37(31-23-15-12-16-24-31,32-25-17-13-18-26-32)33-27-19-14-20-28-33/h12-20,23-28H,2-11,21-22,29-30H2,1H3/q+1
InChIKeyGERPZURPLOAZAB-UHFFFAOYSA-N
XLogP8.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.71
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
(6-butan-2-yloxy-6-oxohexyl)-triphenylphosphanium bromide
CID 133061652
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127

Frequently Asked Questions

What is the IUPAC name of (15-methoxy-15-oxopentadecyl)-triphenylphosphanium?
The IUPAC name of (15-methoxy-15-oxopentadecyl)-triphenylphosphanium (CID 10508386) is (15-methoxy-15-oxopentadecyl)-triphenylphosphanium.
What is the SMILES notation for (15-methoxy-15-oxopentadecyl)-triphenylphosphanium?
The canonical SMILES for (15-methoxy-15-oxopentadecyl)-triphenylphosphanium is COC(=O)CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (15-methoxy-15-oxopentadecyl)-triphenylphosphanium?
The InChIKey is GERPZURPLOAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O2P/c1-36-34(35)29-21-10-8-6-4-2-3-5-7-9-11-22-30-37(31-23-15-12-16-24-31,32-25-17-13-18-26-32)33-27-19-14-20-28-33/h12-20,23-28H,2-11,21-22,29-30H2,1H3/q+1.
What are the key properties of (15-methoxy-15-oxopentadecyl)-triphenylphosphanium?
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium has a molecular weight of 517.71 g/mol, XLogP of 8.22, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15-methoxy-15-oxopentadecyl)-triphenylphosphanium is sourced from PubChem (CID 10508386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).